UCSF

ZINC34331823

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.60 12.33 -34.05 2 6 1 59 462.614 6
Hi High (pH 8-9.5) 3.60 12.9 -30 1 6 0 62 461.606 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0299076A1; US4874759 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )